[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea

C13H14N4S2 — CID 14612310

IUPAC[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C13H14N4S2/c1-8-11(9(2)16-17-13(14)18)19-12(15-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H3,14,17,18)/b16-9+
InChIKeyLIQXXPORQBBPMX-CXUHLZMHSA-N
MW290.42 g/mol
LogP2.68
Rot. Bonds3

About [(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea

[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea (PubChem CID 14612310) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is [(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea
PubChem CID14612310
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC Name[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea
SMILESC/C(=N\NC(N)=S)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C13H14N4S2/c1-8-11(9(2)16-17-13(14)18)19-12(15-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H3,14,17,18)/b16-9+
InChIKeyLIQXXPORQBBPMX-CXUHLZMHSA-N
XLogP2.68
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethylideneamino]thiourea
CID 676481
1-tert-butyl-3-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]thiourea
CID 135846497
N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-4-methylsulfonylaniline
CID 127049240
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
methyl N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate
CID 135673312
(1-phenylethylideneamino)thiourea
CID 912962
4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82425828
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
N-(4-acetamidobutyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110356793
3-chloro-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]benzamide
CID 135846424
4-amino-2-phenyl-1,3-thiazole-5-carbothioamide
CID 12526355
2-(4-fluorophenyl)-N-[(E)-1-[2-(4-hydroxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]acetamide
CID 135846526

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea?
The IUPAC name of [(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea (CID 14612310) is [(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea.
What is the SMILES notation for [(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea?
The canonical SMILES for [(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea is C/C(=N\NC(N)=S)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of [(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea?
The InChIKey is LIQXXPORQBBPMX-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H14N4S2/c1-8-11(9(2)16-17-13(14)18)19-12(15-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H3,14,17,18)/b16-9+.
What are the key properties of [(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea?
[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea has a molecular weight of 290.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]thiourea is sourced from PubChem (CID 14612310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).